SCHEMBL15052604

SCHEMBL15052604

CC(C)c1cccc(Nc2cnc(-c3ccc(C(=O)O)cc3)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CDC25B P30305 7/20 0.44
AKR1C4 P17516 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
MAPK8 P45983 2/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
CAMK2D Q13557 1/20 0.41
EGFR P00533 2/20 0.40
KDR P35968 1/20 0.40
PIK3CG P48736 1/20 0.40
GSK3B P49841 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
HPGD P15428 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL787685 0.90 MAPK1 (0.47) CDC25BAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15052558 0.82 KDR (0.61) RXRARXRBRXRGKDRHPGD
SCHEMBL787451 0.81 AURKA (0.51) AKR1C3AKR1C2PTGER4
SCHEMBL15053484 0.76 KDR (0.48) RXRARXRBRXRGKDRGSK3B
SCHEMBL787767 0.72 MAPK1 (0.51) AKR1C3AKR1C2KDR
SCHEMBL787703 0.72 KDR (0.66) KDR
SCHEMBL787760 0.71 MAPK1 (0.43) CDC25BAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8458801 0.69 RXRA (0.59) RXRARXRBRXRG
SCHEMBL4601619 0.68 RXRA (1.00) RXRARXRBRXRGEGFR
SCHEMBL6786308 0.67 PDE10A (0.47) RXRARXRBRXRGEGFRKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 RXRA 956/4885RXRB 1173/4885RXRG 1031/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.